2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine

C16H31N5 — CID 158454495

IUPAC2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Cc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C16H31N5/c1-14(2,3)10-11-17-12(20-15(4,5)6)19-13(18-11)21-16(7,8)9/h10H2,1-9H3,(H2,17,18,19,20,21)
InChIKeyHEKCHNWMVUPFNA-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.88
Rot. Bonds3

About 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 158454495) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID158454495
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Cc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C16H31N5/c1-14(2,3)10-11-17-12(20-15(4,5)6)19-13(18-11)21-16(7,8)9/h10H2,1-9H3,(H2,17,18,19,20,21)
InChIKeyHEKCHNWMVUPFNA-UHFFFAOYSA-N
XLogP3.88
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine (CID 158454495) is 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine is CC(C)(C)Cc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HEKCHNWMVUPFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-14(2,3)10-11-17-12(20-15(4,5)6)19-13(18-11)21-16(7,8)9/h10H2,1-9H3,(H2,17,18,19,20,21).
What are the key properties of 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-6-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158454495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).